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Acta Crystallographica Section E: Structure Reports Online logoLink to Acta Crystallographica Section E: Structure Reports Online
. 2014 Nov 5;70(Pt 12):m392–m393. doi: 10.1107/S1600536814021928

Crystal structure of (2-{3-[4-(4′-cyano­biphenyl-4-yl­oxy)but­oxy]pyridin-2-yl-κN}-5-(dodec­yloxy)phenyl-κC 1)(9-oxo­tetra­cos-7-en-7-olato-κ2 O,O′)platinum(II)

Kaijun Luo a,*, Hanlin Liu a, Qing Guo a, Daibing Luo b
PMCID: PMC4257408  PMID: 25553005

Abstract

The central PtII atom in the title compound, [Pt(C40H47N2O3)(C24H45O2)], has a slightly distorted square-planar coordination environment. The dihedral angle between the plane formed by Pt and the chelating C and N atoms and that formed by Pt and the chelating O atoms is 2.1 (3)°. The angle between the planes of the two rings in the biphenyl-4-carbo­nitrile unit is 35.1 (5)°. One lateral alkane chain is disordered over two sets of sites with site occupancy factors in a 0.595 (7):0.405 (7) ratio.

Keywords: crystal structure, platinum(II) complex, 9-oxo­tetra­cos-7-en-7-olate

Related literature  

For general background to related structures, see: Yang & Hsu (2009); Lamansky et al. (2001); Brooks et al. (2002); Wang et al. (2011, 2012). For the synthesis of some precursor products, see: Jiang et al. (2011).graphic file with name e-70-0m392-scheme1.jpg

Experimental  

Crystal data  

  • [Pt(C40H47N2O3)(C24H45O2)]

  • M r = 1164.49

  • Triclinic, Inline graphic

  • a = 8.4938 (3) Å

  • b = 18.9062 (7) Å

  • c = 19.9303 (7) Å

  • α = 88.215 (3)°

  • β = 78.816 (3)°

  • γ = 83.072 (3)°

  • V = 3116.71 (19) Å3

  • Z = 2

  • Mo Kα radiation

  • μ = 2.30 mm−1

  • T = 293 K

  • 0.23 × 0.20 × 0.07 mm

Data collection  

  • Oxford Diffraction Xcalibur, Eos diffractometer

  • Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2007) T min = 0.620, T max = 0.856

  • 25616 measured reflections

  • 10933 independent reflections

  • 7310 reflections with I > 2σ(I)

  • R int = 0.044

Refinement  

  • R[F 2 > 2σ(F 2)] = 0.061

  • wR(F 2) = 0.152

  • S = 1.03

  • 10933 reflections

  • 609 parameters

  • 50 restraints

  • H-atom parameters constrained

  • Δρmax = 1.42 e Å−3

  • Δρmin = −0.59 e Å−3

Data collection: CrysAlis PRO (Oxford Diffraction, 2007); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL (Sheldrick, 2008); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: OLEX2.

Supplementary Material

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536814021928/vn2086sup1.cif

e-70-0m392-sup1.cif (75.2KB, cif)

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536814021928/vn2086Isup2.hkl

e-70-0m392-Isup2.hkl (534.6KB, hkl)

. DOI: 10.1107/S1600536814021928/vn2086fig1.tif

The mol­ecular structure of the title complex, with 50% probability displacement ellipsoids.

CCDC reference: 1027628

Additional supporting information: crystallographic information; 3D view; checkCIF report

Acknowledgments

Support from the National Natural Science Foundation of China (grant Nos. 21072141 and 21172161) is gratefully acknowledged.

supplementary crystallographic information

S1. Experimental

2-Phenylpyridine derivative, 4'-(4-(2-(4-(dodecyloxy)phenyl)pyridin-3-yloxy)butoxy)biphenyl-4-carbonitrile (cnbp-Hyyp) and hexacosane-7,9-dione were prepared according to the method of Jiang et al. (2011). A mixture of cnbp-Hyyp (1.20 g, 1.6 mmol) and K2PtCl4 salt (0.58 g,1.6 mmol) was stirred for 12 h at 80 °C in a 3:1 mixture solvent of 2-ethoxyethanol (27 ml) and water (9 ml) under inert atmosphere. After cooled down to room temperature, 10 ml water was added into the reaction mixture. The Pt(II) µ-dichloro-bridged dimer was isolated in water and dried under vacuo at 80 °C. A mixture of the Pt(II) µ-dichloro-bridged dimer (1.18 g, 1.1 mmol), hexacosane-7,9-dione (1.23 g, 3.1 mmol), caesium carbonate (0.15 g, 0.8 mmol) and 2-ethoxyethanol (20 ml) was stirred for 40 min at 90 °C. After cooled down to room temperature, 12 ml ethanol was added into the reaction mixture. The residue was filtered and washed with water. The coarse product was purified through a flash silica gel column using ethyl acetate: petroleum ether (1:1 v/v) as the eluent to give a light yellow solid (0.47 g, 21.9%. Tm = 94 °C). Single crystals of the title complex were obtained by slow diffusion of methanol into the dichloromethane solution of the title complex.

S2. Refinement

All non-H atoms were refined anisotropically. The H atoms were placed in calculated positions and included in the refinement in a riding mode.

Figures

Fig. 1.

Fig. 1.

The molecular structure of the title complex, with 50% probability displacement ellipsoids.

Crystal data

[Pt(C40H47N2O3)(C24H45O2)] Z = 2
Mr = 1164.49 F(000) = 1216
Triclinic, P1 Dx = 1.241 Mg m3
Hall symbol: -P 1 Mo Kα radiation, λ = 0.7107 Å
a = 8.4938 (3) Å Cell parameters from 6800 reflections
b = 18.9062 (7) Å θ = 2.9–29.1°
c = 19.9303 (7) Å µ = 2.30 mm1
α = 88.215 (3)° T = 293 K
β = 78.816 (3)° Plate, yellow
γ = 83.072 (3)° 0.23 × 0.20 × 0.07 mm
V = 3116.71 (19) Å3

Data collection

Oxford Diffraction Xcalibur, Eos diffractometer 10933 independent reflections
Radiation source: Enhance (Mo) X-ray Source 7310 reflections with I > 2σ(I)
Graphite monochromator Rint = 0.044
Detector resolution: 16.0874 pixels mm-1 θmax = 25.0°, θmin = 3.1°
ω scans h = −9→10
Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2007) k = −22→22
Tmin = 0.620, Tmax = 0.856 l = 0→23
25616 measured reflections

Refinement

Refinement on F2 50 restraints
Least-squares matrix: full H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.061 w = 1/[σ2(Fo2) + (0.0717P)2] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.152 (Δ/σ)max = 0.002
S = 1.03 Δρmax = 1.42 e Å3
10933 reflections Δρmin = −0.59 e Å3
609 parameters

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.Moreover, some of C–C bond length for disordered lateral alkane chain and atomic thermal vibration parameter, which affect refinement procedure, were restrained.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)

x y z Uiso*/Ueq Occ. (<1)
Pt1 0.24385 (3) 0.104200 (16) 0.880858 (12) 0.07868 (15)
O1 0.0386 (6) 0.0611 (3) 0.9070 (2) 0.0864 (14)
O2 0.1414 (9) 0.1965 (4) 0.9350 (3) 0.1312 (14)
O3 0.8301 (6) 0.0681 (3) 0.7414 (2) 0.0847 (13)
O4 1.2933 (6) −0.0392 (3) 0.5417 (3) 0.1008 (16)
O5 0.3111 (6) −0.1570 (3) 0.7671 (3) 0.1007 (16)
N1 0.4586 (7) 0.1377 (3) 0.8511 (3) 0.0708 (15)
N2 1.969 (2) −0.4363 (9) 0.1741 (7) 0.260 (8)
C1 0.5707 (8) 0.0925 (4) 0.8084 (3) 0.0685 (18)
C2 0.7280 (9) 0.1124 (4) 0.7858 (3) 0.0729 (19)
C3 0.7677 (10) 0.1755 (5) 0.8086 (4) 0.090 (2)
H3 0.8710 0.1888 0.7945 0.108*
C4 0.6523 (12) 0.2177 (5) 0.8523 (4) 0.093 (2)
H4 0.6775 0.2597 0.8686 0.111*
C5 0.5027 (11) 0.1986 (4) 0.8716 (4) 0.085 (2)
H5 0.4259 0.2287 0.9005 0.102*
C6 0.5083 (8) 0.0258 (4) 0.7930 (3) 0.0665 (17)
C7 0.5978 (8) −0.0286 (4) 0.7512 (3) 0.0733 (18)
H7 0.7029 −0.0244 0.7286 0.088*
C8 0.5254 (9) −0.0885 (4) 0.7445 (4) 0.083 (2)
H8 0.5830 −0.1253 0.7168 0.100*
C9 0.3678 (9) −0.0957 (5) 0.7782 (4) 0.082 (2)
C10 0.2801 (8) −0.0411 (4) 0.8183 (3) 0.0727 (18)
H10 0.1741 −0.0451 0.8398 0.087*
C11 0.3515 (7) 0.0216 (4) 0.8270 (3) 0.0675 (18)
C12 0.9947 (9) 0.0833 (5) 0.7188 (4) 0.088 (2)
H12A 1.0487 0.0844 0.7574 0.106*
H12B 0.9976 0.1290 0.6952 0.106*
C13 1.0748 (9) 0.0232 (5) 0.6706 (4) 0.091 (2)
H13A 1.0194 0.0236 0.6324 0.109*
H13B 1.0639 −0.0219 0.6946 0.109*
C14 1.2529 (9) 0.0289 (5) 0.6435 (4) 0.099 (3)
H14A 1.2627 0.0693 0.6125 0.119*
H14B 1.3040 0.0377 0.6815 0.119*
C15 1.3406 (10) −0.0368 (5) 0.6068 (4) 0.101 (3)
H15A 1.4564 −0.0356 0.6004 0.121*
H15B 1.3137 −0.0790 0.6335 0.121*
C16 1.3701 (9) −0.0925 (5) 0.4992 (4) 0.092 (2)
C17 1.4668 (11) −0.1505 (5) 0.5184 (4) 0.108 (3)
H17 1.4813 −0.1558 0.5634 0.129*
C18 1.5423 (11) −0.2008 (5) 0.4700 (4) 0.111 (3)
H18 1.6028 −0.2409 0.4840 0.133*
C19 1.5316 (10) −0.1939 (5) 0.4021 (4) 0.092 (2)
C20 1.4322 (10) −0.1347 (5) 0.3843 (4) 0.096 (2)
H20 1.4198 −0.1294 0.3390 0.115*
C21 1.3527 (9) −0.0845 (5) 0.4303 (4) 0.092 (2)
H21 1.2882 −0.0456 0.4165 0.110*
C22 1.6224 (11) −0.2455 (5) 0.3514 (4) 0.101 (3)
C23 1.6491 (16) −0.3181 (6) 0.3678 (5) 0.148 (4)
H23 1.6043 −0.3337 0.4113 0.178*
C24 1.7386 (19) −0.3664 (7) 0.3222 (7) 0.181 (6)
H24 1.7565 −0.4140 0.3348 0.217*
C25 1.8031 (17) −0.3439 (7) 0.2565 (6) 0.151 (4)
C26 1.7752 (12) −0.2741 (6) 0.2373 (5) 0.118 (3)
H26 1.8153 −0.2594 0.1930 0.141*
C27 1.6871 (11) −0.2262 (6) 0.2845 (4) 0.102 (3)
H27 1.6697 −0.1787 0.2713 0.122*
C28 1.892 (2) −0.3965 (8) 0.2113 (7) 0.196 (7)
C29 0.1523 (10) −0.1683 (5) 0.8017 (4) 0.105 (3)
H29A 0.0721 −0.1355 0.7845 0.126*
H29B 0.1408 −0.1607 0.8504 0.126*
C30 0.1290 (13) −0.2456 (6) 0.7882 (5) 0.139 (4)
H30A 0.2150 −0.2776 0.8022 0.167*
H30B 0.0272 −0.2568 0.8154 0.167*
C31 0.1294 (14) −0.2569 (6) 0.7170 (5) 0.146 (4)
H31A 0.2213 −0.2376 0.6890 0.175*
H31B 0.0317 −0.2321 0.7049 0.175*
C32 0.1388 (16) −0.3392 (6) 0.7021 (6) 0.154 (4)
H32A 0.2264 −0.3645 0.7212 0.185*
H32B 0.0391 −0.3564 0.7251 0.185*
C33 0.1643 (17) −0.3555 (6) 0.6299 (6) 0.166 (5)
H33A 0.2596 −0.3346 0.6071 0.199*
H33B 0.0732 −0.3317 0.6121 0.199*
C34 0.1852 (16) −0.4328 (5) 0.6100 (6) 0.146 (4)
H34A 0.2724 −0.4572 0.6300 0.175*
H34B 0.0873 −0.4530 0.6305 0.175*
C35 0.2200 (17) −0.4484 (6) 0.5363 (6) 0.156 (4)
H35A 0.1303 −0.4252 0.5171 0.188*
H35B 0.3145 −0.4256 0.5158 0.188*
C36 0.2483 (15) −0.5221 (6) 0.5139 (5) 0.139 (4)
H36A 0.1546 −0.5450 0.5350 0.167*
H36B 0.3392 −0.5450 0.5325 0.167*
C37 0.2809 (16) −0.5378 (6) 0.4398 (6) 0.153 (4)
H37A 0.1893 −0.5161 0.4210 0.184*
H37B 0.3740 −0.5147 0.4182 0.184*
C38 0.3112 (17) −0.6134 (6) 0.4204 (6) 0.156 (4)
H38A 0.2170 −0.6363 0.4409 0.187*
H38B 0.4012 −0.6354 0.4401 0.187*
C39 0.3474 (17) −0.6282 (7) 0.3463 (6) 0.171 (5)
H39A 0.2584 −0.6054 0.3264 0.205*
H39B 0.4429 −0.6061 0.3259 0.205*
C40 0.375 (2) −0.7038 (8) 0.3270 (7) 0.215 (7)
H40A 0.4323 −0.7084 0.2806 0.323*
H40B 0.2724 −0.7220 0.3310 0.323*
H40C 0.4367 −0.7302 0.3568 0.323*
C41 −0.0896 (9) 0.0900 (5) 0.9480 (4) 0.091 (3)
C42 −0.1078 (11) 0.1551 (6) 0.9779 (4) 0.111 (3)
H42 −0.2066 0.1676 1.0068 0.133*
C43 0.0003 (16) 0.2050 (6) 0.9712 (6) 0.1312 (14)
C44 −0.2244 (10) 0.0416 (6) 0.9605 (4) 0.107 (3)
H44A −0.2503 0.0317 1.0092 0.129*
H44B −0.3198 0.0677 0.9478 0.129*
C45 −0.1905 (9) −0.0283 (5) 0.9235 (4) 0.096 (3)
H45A −0.0971 −0.0556 0.9368 0.115*
H45B −0.1641 −0.0192 0.8747 0.115*
C46 −0.3305 (9) −0.0718 (5) 0.9381 (4) 0.099 (3)
H46A −0.3608 −0.0786 0.9871 0.118*
H46B −0.4221 −0.0454 0.9225 0.118*
C47 −0.2946 (10) −0.1431 (6) 0.9044 (4) 0.113 (3)
H47A −0.2639 −0.1358 0.8555 0.136*
H47B −0.2020 −0.1688 0.9199 0.136*
C48 −0.4285 (13) −0.1890 (7) 0.9171 (5) 0.134 (4)
H48A −0.4585 −0.1968 0.9660 0.161*
H48B −0.5215 −0.1632 0.9021 0.161*
C49 −0.3936 (17) −0.2591 (8) 0.8834 (7) 0.193 (6)
H49A −0.3858 −0.2526 0.8350 0.289*
H49B −0.4790 −0.2876 0.9009 0.289*
H49C −0.2933 −0.2827 0.8925 0.289*
C50 −0.025 (2) 0.2803 (9) 1.0074 (10) 0.1312 (14) 0.595 (7)
H50A −0.0691 0.2755 1.0558 0.157* 0.595 (7)
H50B 0.0769 0.2999 1.0023 0.157* 0.595 (7)
C62 −1.009 (4) 0.8053 (15) 1.4640 (12) 0.151 (2) 0.595 (7)
H62A −1.1167 0.8057 1.4545 0.181* 0.595 (7)
H62B −0.9582 0.8427 1.4367 0.181* 0.595 (7)
C60 −0.878 (4) 0.7127 (12) 1.3689 (13) 0.151 (2) 0.595 (7)
H60A −0.8091 0.7465 1.3451 0.181* 0.595 (7)
H60B −0.9805 0.7229 1.3538 0.181* 0.595 (7)
C61 −0.912 (4) 0.7339 (14) 1.4424 (13) 0.151 (2) 0.595 (7)
H61A −0.8091 0.7329 1.4567 0.181* 0.595 (7)
H61B −0.9686 0.6972 1.4685 0.181* 0.595 (7)
C64 −1.113 (3) 0.8968 (10) 1.5474 (10) 0.151 (2) 0.595 (7)
H64A −1.1772 0.9052 1.5128 0.226* 0.595 (7)
H64B −1.0365 0.9310 1.5427 0.226* 0.595 (7)
H64C −1.1816 0.9012 1.5918 0.226* 0.595 (7)
C63 −1.022 (3) 0.8213 (11) 1.5396 (11) 0.151 (2) 0.595 (7)
H63A −0.9155 0.8201 1.5511 0.181* 0.595 (7)
H63B −1.0815 0.7875 1.5685 0.181* 0.595 (7)
C58 −0.686 (3) 0.6430 (11) 1.2697 (12) 0.151 (2) 0.595 (7)
H58A −0.5852 0.6593 1.2756 0.181* 0.595 (7)
H58B −0.7318 0.6740 1.2370 0.181* 0.595 (7)
C59 −0.806 (3) 0.6415 (12) 1.3394 (11) 0.151 (2) 0.595 (7)
H59A −0.8935 0.6150 1.3334 0.181* 0.595 (7)
H59B −0.7505 0.6155 1.3723 0.181* 0.595 (7)
C56 −0.559 (2) 0.5630 (9) 1.1725 (8) 0.1312 (14) 0.595 (7)
H56A −0.5023 0.6050 1.1642 0.157* 0.595 (7)
H56B −0.6302 0.5632 1.1399 0.157* 0.595 (7)
C57 −0.657 (2) 0.5640 (10) 1.2453 (10) 0.151 (2) 0.595 (7)
H57A −0.5979 0.5345 1.2751 0.181* 0.595 (7)
H57B −0.7591 0.5459 1.2463 0.181* 0.595 (7)
C51 −0.144 (2) 0.3293 (8) 0.9724 (8) 0.1312 (14) 0.595 (7)
H51A −0.2483 0.3112 0.9824 0.157* 0.595 (7)
H51B −0.1059 0.3268 0.9233 0.157* 0.595 (7)
C52 −0.168 (2) 0.4101 (8) 0.9945 (7) 0.1312 (14) 0.595 (7)
H52A −0.0654 0.4293 0.9884 0.157* 0.595 (7)
H52B −0.2379 0.4388 0.9683 0.157* 0.595 (7)
C54 −0.316 (2) 0.4857 (8) 1.0949 (8) 0.1312 (14) 0.595 (7)
H54A −0.2255 0.5118 1.0971 0.157* 0.595 (7)
H54B −0.3719 0.5090 1.0606 0.157* 0.595 (7)
C53 −0.247 (2) 0.4074 (8) 1.0701 (8) 0.1312 (14) 0.595 (7)
H53A −0.1683 0.3873 1.0968 0.157* 0.595 (7)
H53B −0.3342 0.3775 1.0764 0.157* 0.595 (7)
C55 −0.429 (2) 0.4915 (9) 1.1628 (8) 0.1312 (14) 0.595 (7)
H55A −0.3657 0.4902 1.1985 0.157* 0.595 (7)
H55B −0.4882 0.4502 1.1691 0.157* 0.595 (7)
C50A −0.079 (3) 0.2691 (11) 1.0120 (13) 0.1312 (14) 0.405 (7)
H50C −0.0479 0.2672 1.0565 0.157* 0.405 (7)
H50D −0.1952 0.2711 1.0187 0.157* 0.405 (7)
C51A −0.023 (4) 0.3336 (11) 0.9727 (12) 0.1312 (14) 0.405 (7)
H51C −0.0626 0.3389 0.9301 0.157* 0.405 (7)
H51D 0.0940 0.3305 0.9628 0.157* 0.405 (7)
C52A −0.099 (3) 0.3978 (13) 1.0228 (13) 0.1312 (14) 0.405 (7)
H52C −0.0362 0.4372 1.0094 0.157* 0.405 (7)
H52D −0.0833 0.3832 1.0684 0.157* 0.405 (7)
C53A −0.290 (3) 0.4289 (12) 1.0289 (14) 0.1312 (14) 0.405 (7)
H53C −0.3097 0.4271 0.9827 0.157* 0.405 (7)
H53D −0.3489 0.3929 1.0547 0.157* 0.405 (7)
C54A −0.383 (3) 0.5025 (12) 1.0582 (11) 0.1312 (14) 0.405 (7)
H54C −0.3036 0.5350 1.0590 0.157* 0.405 (7)
H54D −0.4499 0.5219 1.0261 0.157* 0.405 (7)
C55A −0.491 (3) 0.5024 (13) 1.1296 (11) 0.1312 (14) 0.405 (7)
H55C −0.4704 0.4561 1.1504 0.157* 0.405 (7)
H55D −0.6030 0.5078 1.1238 0.157* 0.405 (7)
C56A −0.473 (3) 0.5612 (14) 1.1816 (12) 0.1312 (14) 0.405 (7)
H56C −0.3649 0.5510 1.1909 0.157* 0.405 (7)
H56D −0.4763 0.6062 1.1568 0.157* 0.405 (7)
C57A −0.585 (3) 0.5752 (16) 1.2507 (14) 0.151 (2) 0.405 (7)
H57C −0.5130 0.5803 1.2820 0.181* 0.405 (7)
H57D −0.6284 0.5303 1.2630 0.181* 0.405 (7)
C58A −0.732 (4) 0.6331 (17) 1.2738 (15) 0.151 (2) 0.405 (7)
H58C −0.7159 0.6746 1.2445 0.181* 0.405 (7)
H58D −0.8284 0.6149 1.2657 0.181* 0.405 (7)
C59A −0.763 (4) 0.6576 (17) 1.3484 (14) 0.151 (2) 0.405 (7)
H59C −0.8154 0.6217 1.3775 0.181* 0.405 (7)
H59D −0.6606 0.6613 1.3616 0.181* 0.405 (7)
C60A −0.869 (6) 0.7290 (19) 1.361 (2) 0.151 (2) 0.405 (7)
H60C −0.8034 0.7680 1.3508 0.181* 0.405 (7)
H60D −0.9501 0.7338 1.3327 0.181* 0.405 (7)
C61A −0.947 (5) 0.729 (2) 1.4362 (18) 0.151 (2) 0.405 (7)
H61C −0.8758 0.7016 1.4626 0.181* 0.405 (7)
H61D −1.0475 0.7075 1.4426 0.181* 0.405 (7)
C62A −0.980 (6) 0.807 (2) 1.4593 (17) 0.151 (2) 0.405 (7)
H62C −0.8788 0.8266 1.4555 0.181* 0.405 (7)
H62D −1.0440 0.8343 1.4300 0.181* 0.405 (7)
C63A −1.072 (4) 0.8108 (17) 1.5336 (14) 0.151 (2) 0.405 (7)
H63C −1.0124 0.7752 1.5583 0.181* 0.405 (7)
H63D −1.1742 0.7934 1.5331 0.181* 0.405 (7)
C64A −1.113 (4) 0.8766 (15) 1.5802 (14) 0.151 (2) 0.405 (7)
H64D −1.0301 0.9076 1.5683 0.226* 0.405 (7)
H64E −1.1196 0.8616 1.6271 0.226* 0.405 (7)
H64F −1.2148 0.9015 1.5744 0.226* 0.405 (7)

Atomic displacement parameters (Å2)

U11 U22 U33 U12 U13 U23
Pt1 0.0873 (2) 0.0880 (3) 0.05385 (18) 0.01122 (16) −0.00836 (13) −0.01002 (14)
O1 0.089 (3) 0.089 (4) 0.067 (3) 0.027 (3) −0.003 (2) −0.010 (3)
O2 0.146 (4) 0.122 (3) 0.115 (3) 0.033 (3) −0.024 (2) −0.028 (2)
O3 0.073 (3) 0.095 (4) 0.082 (3) −0.009 (3) −0.003 (2) −0.013 (3)
O4 0.094 (4) 0.125 (5) 0.079 (3) 0.006 (3) −0.019 (3) −0.006 (3)
O5 0.092 (4) 0.087 (4) 0.115 (4) −0.020 (3) 0.010 (3) −0.029 (3)
N1 0.085 (4) 0.070 (4) 0.055 (3) 0.012 (3) −0.019 (3) −0.013 (3)
N2 0.317 (19) 0.246 (17) 0.179 (12) 0.085 (14) −0.014 (12) −0.079 (12)
C1 0.066 (4) 0.093 (6) 0.048 (3) 0.002 (4) −0.020 (3) −0.006 (3)
C2 0.090 (5) 0.069 (5) 0.061 (4) 0.000 (4) −0.022 (4) −0.002 (3)
C3 0.103 (6) 0.091 (6) 0.074 (5) −0.010 (5) −0.015 (4) −0.007 (4)
C4 0.115 (7) 0.085 (6) 0.086 (5) −0.015 (5) −0.037 (5) −0.007 (4)
C5 0.103 (6) 0.086 (6) 0.067 (4) 0.005 (5) −0.024 (4) −0.015 (4)
C6 0.069 (4) 0.074 (5) 0.055 (4) −0.001 (4) −0.012 (3) −0.002 (3)
C7 0.062 (4) 0.081 (5) 0.073 (4) 0.001 (4) −0.006 (3) −0.014 (4)
C8 0.076 (5) 0.093 (6) 0.075 (5) 0.001 (4) −0.004 (4) −0.028 (4)
C9 0.080 (5) 0.088 (6) 0.072 (4) −0.005 (4) 0.001 (4) −0.013 (4)
C10 0.064 (4) 0.084 (5) 0.066 (4) −0.009 (4) −0.004 (3) 0.000 (4)
C11 0.045 (3) 0.100 (6) 0.053 (4) 0.001 (3) −0.005 (3) 0.011 (3)
C12 0.079 (5) 0.108 (7) 0.076 (5) −0.013 (4) −0.008 (4) 0.005 (4)
C13 0.075 (5) 0.107 (7) 0.089 (5) −0.010 (4) −0.013 (4) −0.001 (5)
C14 0.092 (6) 0.123 (8) 0.085 (5) −0.025 (5) −0.015 (4) 0.001 (5)
C15 0.095 (6) 0.133 (8) 0.072 (5) −0.010 (5) −0.011 (4) −0.009 (5)
C16 0.080 (5) 0.114 (7) 0.081 (5) −0.006 (5) −0.012 (4) −0.001 (5)
C17 0.126 (7) 0.120 (8) 0.076 (5) 0.004 (6) −0.027 (5) 0.010 (5)
C18 0.144 (8) 0.105 (7) 0.076 (5) 0.022 (6) −0.026 (5) 0.006 (5)
C19 0.107 (6) 0.097 (6) 0.074 (5) −0.013 (5) −0.024 (4) 0.014 (5)
C20 0.102 (6) 0.118 (7) 0.070 (5) −0.011 (5) −0.023 (4) 0.010 (5)
C21 0.085 (5) 0.108 (7) 0.082 (5) −0.012 (5) −0.017 (4) 0.011 (5)
C22 0.127 (7) 0.092 (7) 0.081 (6) 0.002 (5) −0.022 (5) 0.006 (5)
C23 0.226 (12) 0.110 (9) 0.091 (7) 0.017 (8) −0.012 (7) 0.008 (7)
C24 0.292 (17) 0.112 (10) 0.116 (9) 0.034 (10) −0.023 (10) −0.001 (8)
C25 0.213 (13) 0.133 (11) 0.089 (8) 0.026 (9) −0.012 (7) −0.021 (7)
C26 0.137 (8) 0.135 (10) 0.071 (6) 0.009 (7) −0.011 (5) −0.008 (6)
C27 0.114 (7) 0.124 (8) 0.070 (5) −0.016 (6) −0.024 (5) 0.014 (5)
C28 0.288 (19) 0.152 (13) 0.118 (10) 0.068 (12) −0.015 (10) −0.040 (9)
C29 0.101 (6) 0.111 (7) 0.101 (6) −0.033 (5) 0.005 (5) −0.021 (5)
C30 0.140 (9) 0.156 (10) 0.117 (8) −0.058 (8) 0.014 (6) −0.038 (7)
C31 0.172 (10) 0.154 (11) 0.125 (8) −0.068 (8) −0.031 (7) −0.016 (7)
C32 0.203 (12) 0.128 (10) 0.140 (9) −0.020 (8) −0.049 (8) −0.042 (8)
C33 0.206 (13) 0.119 (10) 0.169 (11) −0.024 (9) −0.021 (9) −0.049 (8)
C34 0.209 (12) 0.088 (7) 0.142 (9) −0.002 (7) −0.042 (8) −0.027 (7)
C35 0.215 (13) 0.099 (9) 0.151 (11) −0.012 (8) −0.023 (9) −0.038 (7)
C36 0.208 (12) 0.090 (8) 0.122 (8) −0.015 (7) −0.040 (8) −0.006 (6)
C37 0.229 (14) 0.108 (9) 0.115 (9) −0.022 (9) −0.008 (8) −0.020 (7)
C38 0.217 (13) 0.125 (10) 0.124 (9) −0.032 (9) −0.019 (8) −0.023 (7)
C39 0.224 (14) 0.142 (11) 0.134 (10) −0.005 (10) −0.005 (9) −0.038 (8)
C40 0.278 (18) 0.184 (15) 0.170 (12) −0.041 (13) 0.009 (11) −0.066 (11)
C41 0.076 (5) 0.130 (8) 0.054 (4) 0.023 (5) −0.001 (4) 0.009 (5)
C42 0.109 (6) 0.142 (8) 0.062 (5) 0.057 (4) −0.006 (4) −0.028 (5)
C43 0.146 (4) 0.122 (3) 0.115 (3) 0.033 (3) −0.024 (2) −0.028 (2)
C44 0.088 (6) 0.154 (9) 0.060 (5) 0.038 (6) 0.002 (4) 0.010 (5)
C45 0.061 (5) 0.145 (8) 0.070 (5) 0.013 (5) −0.003 (4) 0.014 (5)
C46 0.084 (6) 0.141 (8) 0.063 (4) 0.009 (5) −0.010 (4) 0.012 (5)
C47 0.083 (6) 0.177 (11) 0.086 (6) −0.037 (7) −0.026 (5) 0.026 (6)
C48 0.120 (8) 0.184 (12) 0.103 (7) −0.045 (8) −0.019 (6) 0.005 (8)
C49 0.181 (13) 0.203 (15) 0.197 (13) −0.079 (12) −0.004 (10) −0.031 (12)
C50 0.146 (4) 0.122 (3) 0.115 (3) 0.033 (3) −0.024 (2) −0.028 (2)
C62 0.171 (6) 0.128 (4) 0.140 (4) −0.007 (4) −0.006 (4) −0.002 (4)
C60 0.171 (6) 0.128 (4) 0.140 (4) −0.007 (4) −0.006 (4) −0.002 (4)
C61 0.171 (6) 0.128 (4) 0.140 (4) −0.007 (4) −0.006 (4) −0.002 (4)
C64 0.171 (6) 0.128 (4) 0.140 (4) −0.007 (4) −0.006 (4) −0.002 (4)
C63 0.171 (6) 0.128 (4) 0.140 (4) −0.007 (4) −0.006 (4) −0.002 (4)
C58 0.171 (6) 0.128 (4) 0.140 (4) −0.007 (4) −0.006 (4) −0.002 (4)
C59 0.171 (6) 0.128 (4) 0.140 (4) −0.007 (4) −0.006 (4) −0.002 (4)
C56 0.146 (4) 0.122 (3) 0.115 (3) 0.033 (3) −0.024 (2) −0.028 (2)
C57 0.171 (6) 0.128 (4) 0.140 (4) −0.007 (4) −0.006 (4) −0.002 (4)
C51 0.146 (4) 0.122 (3) 0.115 (3) 0.033 (3) −0.024 (2) −0.028 (2)
C52 0.146 (4) 0.122 (3) 0.115 (3) 0.033 (3) −0.024 (2) −0.028 (2)
C54 0.146 (4) 0.122 (3) 0.115 (3) 0.033 (3) −0.024 (2) −0.028 (2)
C53 0.146 (4) 0.122 (3) 0.115 (3) 0.033 (3) −0.024 (2) −0.028 (2)
C55 0.146 (4) 0.122 (3) 0.115 (3) 0.033 (3) −0.024 (2) −0.028 (2)
C50A 0.146 (4) 0.122 (3) 0.115 (3) 0.033 (3) −0.024 (2) −0.028 (2)
C51A 0.146 (4) 0.122 (3) 0.115 (3) 0.033 (3) −0.024 (2) −0.028 (2)
C52A 0.146 (4) 0.122 (3) 0.115 (3) 0.033 (3) −0.024 (2) −0.028 (2)
C53A 0.146 (4) 0.122 (3) 0.115 (3) 0.033 (3) −0.024 (2) −0.028 (2)
C54A 0.146 (4) 0.122 (3) 0.115 (3) 0.033 (3) −0.024 (2) −0.028 (2)
C55A 0.146 (4) 0.122 (3) 0.115 (3) 0.033 (3) −0.024 (2) −0.028 (2)
C56A 0.146 (4) 0.122 (3) 0.115 (3) 0.033 (3) −0.024 (2) −0.028 (2)
C57A 0.171 (6) 0.128 (4) 0.140 (4) −0.007 (4) −0.006 (4) −0.002 (4)
C58A 0.171 (6) 0.128 (4) 0.140 (4) −0.007 (4) −0.006 (4) −0.002 (4)
C59A 0.171 (6) 0.128 (4) 0.140 (4) −0.007 (4) −0.006 (4) −0.002 (4)
C60A 0.171 (6) 0.128 (4) 0.140 (4) −0.007 (4) −0.006 (4) −0.002 (4)
C61A 0.171 (6) 0.128 (4) 0.140 (4) −0.007 (4) −0.006 (4) −0.002 (4)
C62A 0.171 (6) 0.128 (4) 0.140 (4) −0.007 (4) −0.006 (4) −0.002 (4)
C63A 0.171 (6) 0.128 (4) 0.140 (4) −0.007 (4) −0.006 (4) −0.002 (4)
C64A 0.171 (6) 0.128 (4) 0.140 (4) −0.007 (4) −0.006 (4) −0.002 (4)

Geometric parameters (Å, º)

Pt1—O1 1.984 (5) C44—H44B 0.9700
Pt1—O2 2.086 (7) C44—C45 1.502 (12)
Pt1—N1 1.979 (6) C45—H45A 0.9700
Pt1—C11 1.952 (7) C45—H45B 0.9700
O1—C41 1.301 (8) C45—C46 1.504 (11)
O2—C43 1.267 (13) C46—H46A 0.9700
O3—C2 1.346 (8) C46—H46B 0.9700
O3—C12 1.444 (8) C46—C47 1.497 (12)
O4—C15 1.435 (8) C47—H47A 0.9700
O4—C16 1.356 (9) C47—H47B 0.9700
O5—C9 1.346 (9) C47—C48 1.491 (12)
O5—C29 1.428 (9) C48—H48A 0.9700
N1—C1 1.377 (8) C48—H48B 0.9700
N1—C5 1.351 (9) C48—C49 1.475 (16)
N2—C28 1.127 (15) C49—H49A 0.9600
C1—C2 1.416 (9) C49—H49B 0.9600
C1—C6 1.488 (10) C49—H49C 0.9600
C2—C3 1.391 (10) C50—H50A 0.9700
C3—H3 0.9300 C50—H50B 0.9700
C3—C4 1.371 (11) C50—C51 1.540 (16)
C4—H4 0.9300 C62—H62A 0.9700
C4—C5 1.343 (10) C62—H62B 0.9700
C5—H5 0.9300 C62—C61 1.519 (17)
C6—C7 1.396 (9) C62—C63 1.527 (18)
C6—C11 1.382 (9) C60—H60A 0.9700
C7—H7 0.9300 C60—H60B 0.9700
C7—C8 1.375 (10) C60—C61 1.496 (17)
C8—H8 0.9300 C60—C59 1.498 (16)
C8—C9 1.397 (10) C61—H61A 0.9700
C9—C10 1.377 (9) C61—H61B 0.9700
C10—H10 0.9300 C64—H64A 0.9600
C10—C11 1.424 (10) C64—H64B 0.9600
C12—H12A 0.9700 C64—H64C 0.9600
C12—H12B 0.9700 C64—C63 1.535 (17)
C12—C13 1.518 (10) C63—H63A 0.9700
C13—H13A 0.9700 C63—H63B 0.9700
C13—H13B 0.9700 C58—H58A 0.9700
C13—C14 1.520 (10) C58—H58B 0.9700
C14—H14A 0.9700 C58—C59 1.56 (3)
C14—H14B 0.9700 C58—C57 1.560 (17)
C14—C15 1.502 (11) C59—H59A 0.9700
C15—H15A 0.9700 C59—H59B 0.9700
C15—H15B 0.9700 C56—H56A 0.9700
C16—C17 1.378 (11) C56—H56B 0.9700
C16—C21 1.411 (10) C56—C57 1.527 (16)
C17—H17 0.9300 C56—C55 1.627 (15)
C17—C18 1.384 (11) C57—H57A 0.9700
C18—H18 0.9300 C57—H57B 0.9700
C18—C19 1.374 (10) C51—H51A 0.9700
C19—C20 1.398 (11) C51—H51B 0.9700
C19—C22 1.465 (11) C51—C52 1.582 (15)
C20—H20 0.9300 C52—H52A 0.9700
C20—C21 1.363 (11) C52—H52B 0.9700
C21—H21 0.9300 C52—C53 1.528 (15)
C22—C23 1.402 (13) C54—H54A 0.9700
C22—C27 1.396 (11) C54—H54B 0.9700
C23—H23 0.9300 C54—C53 1.582 (15)
C23—C24 1.362 (14) C54—C55 1.500 (15)
C24—H24 0.9300 C53—H53A 0.9700
C24—C25 1.391 (15) C53—H53B 0.9700
C25—C26 1.368 (14) C55—H55A 0.9700
C25—C28 1.409 (16) C55—H55B 0.9700
C26—H26 0.9300 C50A—H50C 0.9700
C26—C27 1.371 (13) C50A—H50D 0.9700
C27—H27 0.9300 C50A—C51A 1.502 (18)
C29—H29A 0.9700 C51A—H51C 0.9700
C29—H29B 0.9700 C51A—H51D 0.9700
C29—C30 1.537 (12) C51A—C52A 1.590 (17)
C30—H30A 0.9700 C52A—H52C 0.9700
C30—H30B 0.9700 C52A—H52D 0.9700
C30—C31 1.441 (12) C52A—C53A 1.636 (17)
C31—H31A 0.9700 C53A—H53C 0.9700
C31—H31B 0.9700 C53A—H53D 0.9700
C31—C32 1.582 (14) C53A—C54A 1.584 (17)
C32—H32A 0.9700 C54A—H54C 0.9700
C32—H32B 0.9700 C54A—H54D 0.9700
C32—C33 1.450 (14) C54A—C55A 1.537 (17)
C33—H33A 0.9700 C55A—H55C 0.9700
C33—H33B 0.9700 C55A—H55D 0.9700
C33—C34 1.507 (13) C55A—C56A 1.584 (18)
C34—H34A 0.9700 C56A—H56C 0.9700
C34—H34B 0.9700 C56A—H56D 0.9700
C34—C35 1.473 (14) C56A—C57A 1.525 (18)
C35—H35A 0.9700 C57A—H57C 0.9700
C35—H35B 0.9700 C57A—H57D 0.9700
C35—C36 1.454 (13) C57A—C58A 1.562 (19)
C36—H36A 0.9700 C58A—H58C 0.9700
C36—H36B 0.9700 C58A—H58D 0.9700
C36—C37 1.482 (13) C58A—C59A 1.54 (2)
C37—H37A 0.9700 C59A—H59C 0.9700
C37—H37B 0.9700 C59A—H59D 0.9700
C37—C38 1.472 (14) C59A—C60A 1.525 (19)
C38—H38A 0.9700 C60A—H60C 0.9700
C38—H38B 0.9700 C60A—H60D 0.9700
C38—C39 1.478 (14) C60A—C61A 1.517 (19)
C39—H39A 0.9700 C61A—H61C 0.9700
C39—H39B 0.9700 C61A—H61D 0.9700
C39—C40 1.470 (15) C61A—C62A 1.534 (19)
C40—H40A 0.9600 C62A—H62C 0.9700
C40—H40B 0.9600 C62A—H62D 0.9700
C40—H40C 0.9600 C62A—C63A 1.533 (19)
C41—C42 1.364 (12) C63A—H63C 0.9700
C41—C44 1.529 (12) C63A—H63D 0.9700
C42—H42 0.9300 C63A—C64A 1.539 (18)
C42—C43 1.380 (14) C64A—H64D 0.9600
C43—C50 1.588 (15) C64A—H64E 0.9600
C43—C50A 1.495 (17) C64A—H64F 0.9600
C44—H44A 0.9700
O1—Pt1—O2 91.1 (3) H45A—C45—H45B 107.8
N1—Pt1—O1 174.2 (2) C46—C45—H45A 109.0
N1—Pt1—O2 94.6 (3) C46—C45—H45B 109.0
C11—Pt1—O1 92.7 (2) C45—C46—H46A 108.9
C11—Pt1—O2 176.1 (3) C45—C46—H46B 108.9
C11—Pt1—N1 81.6 (3) H46A—C46—H46B 107.7
C41—O1—Pt1 124.8 (6) C47—C46—C45 113.4 (7)
C43—O2—Pt1 124.7 (8) C47—C46—H46A 108.9
C2—O3—C12 119.1 (6) C47—C46—H46B 108.9
C16—O4—C15 116.6 (6) C46—C47—H47A 108.3
C9—O5—C29 118.5 (6) C46—C47—H47B 108.3
C1—N1—Pt1 115.5 (5) H47A—C47—H47B 107.4
C5—N1—Pt1 125.2 (5) C48—C47—C46 116.0 (9)
C5—N1—C1 119.3 (6) C48—C47—H47A 108.3
N1—C1—C2 118.8 (6) C48—C47—H47B 108.3
N1—C1—C6 113.5 (6) C47—C48—H48A 108.3
C2—C1—C6 127.7 (6) C47—C48—H48B 108.3
O3—C2—C1 116.3 (6) H48A—C48—H48B 107.4
O3—C2—C3 123.9 (7) C49—C48—C47 116.0 (11)
C3—C2—C1 119.8 (7) C49—C48—H48A 108.3
C2—C3—H3 120.5 C49—C48—H48B 108.3
C4—C3—C2 118.9 (8) C48—C49—H49A 109.5
C4—C3—H3 120.5 C48—C49—H49B 109.5
C3—C4—H4 119.9 C48—C49—H49C 109.5
C5—C4—C3 120.2 (8) H49A—C49—H49B 109.5
C5—C4—H4 119.9 H49A—C49—H49C 109.5
N1—C5—H5 118.5 H49B—C49—H49C 109.5
C4—C5—N1 123.0 (7) C43—C50—H50A 110.3
C4—C5—H5 118.5 C43—C50—H50B 110.3
C7—C6—C1 124.7 (6) H50A—C50—H50B 108.6
C11—C6—C1 112.7 (6) C51—C50—C43 107.0 (12)
C11—C6—C7 122.6 (7) C51—C50—H50A 110.3
C6—C7—H7 121.1 C51—C50—H50B 110.3
C8—C7—C6 117.8 (6) H62A—C62—H62B 107.7
C8—C7—H7 121.1 C61—C62—H62A 108.9
C7—C8—H8 119.1 C61—C62—H62B 108.9
C7—C8—C9 121.8 (7) C61—C62—C63 113 (2)
C9—C8—H8 119.1 C63—C62—H62A 108.9
O5—C9—C8 115.9 (7) C63—C62—H62B 108.9
O5—C9—C10 124.4 (7) H60A—C60—H60B 106.0
C10—C9—C8 119.7 (7) C61—C60—H60A 105.4
C9—C10—H10 119.9 C61—C60—H60B 105.4
C9—C10—C11 120.1 (6) C61—C60—C59 128 (2)
C11—C10—H10 119.9 C59—C60—H60A 105.4
C6—C11—Pt1 116.6 (6) C59—C60—H60B 105.4
C6—C11—C10 118.0 (7) C62—C61—H61A 107.3
C10—C11—Pt1 125.4 (5) C62—C61—H61B 107.3
O3—C12—H12A 110.7 C60—C61—C62 120 (2)
O3—C12—H12B 110.7 C60—C61—H61A 107.3
O3—C12—C13 105.2 (6) C60—C61—H61B 107.3
H12A—C12—H12B 108.8 H61A—C61—H61B 106.9
C13—C12—H12A 110.7 C62—C63—C64 103.5 (18)
C13—C12—H12B 110.7 C62—C63—H63A 111.1
C12—C13—H13A 109.0 C62—C63—H63B 111.1
C12—C13—H13B 109.0 C64—C63—H63A 111.1
C12—C13—C14 112.7 (7) C64—C63—H63B 111.1
H13A—C13—H13B 107.8 H63A—C63—H63B 109.0
C14—C13—H13A 109.0 H58A—C58—H58B 108.9
C14—C13—H13B 109.0 C59—C58—H58A 110.9
C13—C14—H14A 108.9 C59—C58—H58B 110.9
C13—C14—H14B 108.9 C59—C58—C57 104.3 (17)
H14A—C14—H14B 107.8 C57—C58—H58A 110.9
C15—C14—C13 113.2 (7) C57—C58—H58B 110.9
C15—C14—H14A 108.9 C60—C59—C58 115.8 (18)
C15—C14—H14B 108.9 C60—C59—H59A 108.3
O4—C15—C14 108.5 (7) C60—C59—H59B 108.3
O4—C15—H15A 110.0 C58—C59—H59A 108.3
O4—C15—H15B 110.0 C58—C59—H59B 108.3
C14—C15—H15A 110.0 H59A—C59—H59B 107.4
C14—C15—H15B 110.0 H56A—C56—H56B 108.3
H15A—C15—H15B 108.4 C57—C56—H56A 109.9
O4—C16—C17 124.7 (7) C57—C56—H56B 109.9
O4—C16—C21 115.8 (8) C57—C56—C55 108.8 (13)
C17—C16—C21 119.5 (8) C55—C56—H56A 109.9
C16—C17—H17 120.3 C55—C56—H56B 109.9
C16—C17—C18 119.4 (8) C58—C57—H57A 110.3
C18—C17—H17 120.3 C58—C57—H57B 110.3
C17—C18—H18 118.7 C56—C57—C58 107.3 (15)
C19—C18—C17 122.7 (8) C56—C57—H57A 110.3
C19—C18—H18 118.7 C56—C57—H57B 110.3
C18—C19—C20 116.5 (8) H57A—C57—H57B 108.5
C18—C19—C22 121.2 (8) C50—C51—H51A 108.5
C20—C19—C22 122.2 (7) C50—C51—H51B 108.5
C19—C20—H20 118.5 C50—C51—C52 114.9 (13)
C21—C20—C19 122.9 (7) H51A—C51—H51B 107.5
C21—C20—H20 118.5 C52—C51—H51A 108.5
C16—C21—H21 120.6 C52—C51—H51B 108.5
C20—C21—C16 118.8 (8) C51—C52—H52A 111.1
C20—C21—H21 120.6 C51—C52—H52B 111.1
C23—C22—C19 121.3 (8) H52A—C52—H52B 109.1
C27—C22—C19 122.8 (8) C53—C52—C51 103.3 (13)
C27—C22—C23 116.0 (9) C53—C52—H52A 111.1
C22—C23—H23 119.0 C53—C52—H52B 111.1
C24—C23—C22 122.1 (10) H54A—C54—H54B 107.4
C24—C23—H23 119.0 C53—C54—H54A 108.3
C23—C24—H24 120.3 C53—C54—H54B 108.3
C23—C24—C25 119.5 (11) C55—C54—H54A 108.3
C25—C24—H24 120.3 C55—C54—H54B 108.3
C24—C25—C28 116.9 (13) C55—C54—C53 115.8 (14)
C26—C25—C24 120.6 (11) C52—C53—C54 108.8 (13)
C26—C25—C28 122.5 (12) C52—C53—H53A 109.9
C25—C26—H26 120.5 C52—C53—H53B 109.9
C25—C26—C27 118.9 (9) C54—C53—H53A 109.9
C27—C26—H26 120.5 C54—C53—H53B 109.9
C22—C27—H27 118.5 H53A—C53—H53B 108.3
C26—C27—C22 122.9 (9) C56—C55—H55A 108.5
C26—C27—H27 118.5 C56—C55—H55B 108.5
N2—C28—C25 177 (2) C54—C55—C56 114.9 (13)
O5—C29—H29A 110.3 C54—C55—H55A 108.5
O5—C29—H29B 110.3 C54—C55—H55B 108.5
O5—C29—C30 107.3 (7) H55A—C55—H55B 107.5
H29A—C29—H29B 108.5 C43—C50A—H50C 110.2
C30—C29—H29A 110.3 C43—C50A—H50D 110.2
C30—C29—H29B 110.3 C43—C50A—C51A 107.4 (17)
C29—C30—H30A 109.3 H50C—C50A—H50D 108.5
C29—C30—H30B 109.3 C51A—C50A—H50C 110.2
H30A—C30—H30B 107.9 C51A—C50A—H50D 110.2
C31—C30—C29 111.7 (9) C50A—C51A—H51C 111.0
C31—C30—H30A 109.3 C50A—C51A—H51D 111.0
C31—C30—H30B 109.3 C50A—C51A—C52A 103.7 (18)
C30—C31—H31A 109.5 H51C—C51A—H51D 109.0
C30—C31—H31B 109.5 C52A—C51A—H51C 111.0
C30—C31—C32 110.5 (10) C52A—C51A—H51D 111.0
H31A—C31—H31B 108.1 C51A—C52A—H52C 107.4
C32—C31—H31A 109.5 C51A—C52A—H52D 107.4
C32—C31—H31B 109.5 C51A—C52A—C53A 119.8 (19)
C31—C32—H32A 108.9 H52C—C52A—H52D 106.9
C31—C32—H32B 108.9 C53A—C52A—H52C 107.4
H32A—C32—H32B 107.7 C53A—C52A—H52D 107.4
C33—C32—C31 113.6 (10) C52A—C53A—H53C 104.8
C33—C32—H32A 108.9 C52A—C53A—H53D 104.8
C33—C32—H32B 108.9 H53C—C53A—H53D 105.8
C32—C33—H33A 107.9 C54A—C53A—C52A 129.8 (19)
C32—C33—H33B 107.9 C54A—C53A—H53C 104.8
C32—C33—C34 117.8 (11) C54A—C53A—H53D 104.8
H33A—C33—H33B 107.2 C53A—C54A—H54C 107.8
C34—C33—H33A 107.9 C53A—C54A—H54D 107.8
C34—C33—H33B 107.9 H54C—C54A—H54D 107.1
C33—C34—H34A 108.1 C55A—C54A—C53A 118 (2)
C33—C34—H34B 108.1 C55A—C54A—H54C 107.8
H34A—C34—H34B 107.3 C55A—C54A—H54D 107.8
C35—C34—C33 117.0 (10) C54A—C55A—H55C 108.0
C35—C34—H34A 108.1 C54A—C55A—H55D 108.0
C35—C34—H34B 108.1 C54A—C55A—C56A 117 (2)
C34—C35—H35A 107.5 H55C—C55A—H55D 107.2
C34—C35—H35B 107.5 C56A—C55A—H55C 108.0
H35A—C35—H35B 107.0 C56A—C55A—H55D 108.0
C36—C35—C34 119.4 (10) C55A—C56A—H56C 106.3
C36—C35—H35A 107.5 C55A—C56A—H56D 106.3
C36—C35—H35B 107.5 H56C—C56A—H56D 106.4
C35—C36—H36A 107.5 C57A—C56A—C55A 124 (2)
C35—C36—H36B 107.5 C57A—C56A—H56C 106.3
C35—C36—C37 119.4 (10) C57A—C56A—H56D 106.3
H36A—C36—H36B 107.0 C56A—C57A—H57C 104.4
C37—C36—H36A 107.5 C56A—C57A—H57D 104.4
C37—C36—H36B 107.5 C56A—C57A—C58A 131 (2)
C36—C37—H37A 108.1 H57C—C57A—H57D 105.6
C36—C37—H37B 108.1 C58A—C57A—H57C 104.4
H37A—C37—H37B 107.3 C58A—C57A—H57D 104.4
C38—C37—C36 116.8 (10) C57A—C58A—H58C 108.0
C38—C37—H37A 108.1 C57A—C58A—H58D 108.0
C38—C37—H37B 108.1 H58C—C58A—H58D 107.3
C37—C38—H38A 108.2 C59A—C58A—C57A 117 (3)
C37—C38—H38B 108.2 C59A—C58A—H58C 108.0
C37—C38—C39 116.2 (11) C59A—C58A—H58D 108.0
H38A—C38—H38B 107.4 C58A—C59A—H59C 108.8
C39—C38—H38A 108.2 C58A—C59A—H59D 108.8
C39—C38—H38B 108.2 H59C—C59A—H59D 107.7
C38—C39—H39A 108.2 C60A—C59A—C58A 114 (3)
C38—C39—H39B 108.2 C60A—C59A—H59C 108.8
H39A—C39—H39B 107.4 C60A—C59A—H59D 108.8
C40—C39—C38 116.2 (12) C59A—C60A—H60C 110.6
C40—C39—H39A 108.2 C59A—C60A—H60D 110.6
C40—C39—H39B 108.2 H60C—C60A—H60D 108.7
C39—C40—H40A 109.5 C61A—C60A—C59A 106 (3)
C39—C40—H40B 109.5 C61A—C60A—H60C 110.6
C39—C40—H40C 109.5 C61A—C60A—H60D 110.6
H40A—C40—H40B 109.5 C60A—C61A—H61C 110.3
H40A—C40—H40C 109.5 C60A—C61A—H61D 110.3
H40B—C40—H40C 109.5 C60A—C61A—C62A 107 (3)
O1—C41—C42 126.2 (9) H61C—C61A—H61D 108.6
O1—C41—C44 111.9 (8) C62A—C61A—H61C 110.3
C42—C41—C44 121.9 (8) C62A—C61A—H61D 110.3
C41—C42—H42 115.5 C61A—C62A—H62C 109.7
C41—C42—C43 128.9 (9) C61A—C62A—H62D 109.7
C43—C42—H42 115.5 H62C—C62A—H62D 108.2
O2—C43—C42 124.2 (10) C63A—C62A—C61A 110 (3)
O2—C43—C50 108.5 (13) C63A—C62A—H62C 109.7
O2—C43—C50A 127.2 (15) C63A—C62A—H62D 109.7
C42—C43—C50 127.3 (13) C62A—C63A—H63C 105.4
C42—C43—C50A 108.6 (14) C62A—C63A—H63D 105.4
C50A—C43—C50 18.9 (15) C62A—C63A—C64A 128 (3)
C41—C44—H44A 108.1 H63C—C63A—H63D 106.0
C41—C44—H44B 108.1 C64A—C63A—H63C 105.4
H44A—C44—H44B 107.3 C64A—C63A—H63D 105.4
C45—C44—C41 116.8 (7) C63A—C64A—H64D 109.5
C45—C44—H44A 108.1 C63A—C64A—H64E 109.5
C45—C44—H44B 108.1 C63A—C64A—H64F 109.5
C44—C45—H45A 109.0 H64D—C64A—H64E 109.5
C44—C45—H45B 109.0 H64D—C64A—H64F 109.5
C44—C45—C46 113.1 (7) H64E—C64A—H64F 109.5
Pt1—O1—C41—C42 2.6 (10) C17—C18—C19—C20 −3.4 (14)
Pt1—O1—C41—C44 −177.1 (4) C17—C18—C19—C22 175.5 (9)
Pt1—O2—C43—C42 −2.3 (15) C18—C19—C20—C21 2.0 (13)
Pt1—O2—C43—C50 176.2 (8) C18—C19—C22—C23 35.3 (14)
Pt1—O2—C43—C50A 178.8 (15) C18—C19—C22—C27 −144.8 (9)
Pt1—N1—C1—C2 −179.1 (4) C19—C20—C21—C16 −0.5 (13)
Pt1—N1—C1—C6 −0.5 (6) C19—C22—C23—C24 −177.4 (11)
Pt1—N1—C5—C4 177.1 (5) C19—C22—C27—C26 178.6 (8)
O1—Pt1—O2—C43 4.3 (8) C20—C19—C22—C23 −145.8 (10)
O1—Pt1—N1—C1 12.4 (19) C20—C19—C22—C27 34.1 (13)
O1—Pt1—N1—C5 −164.8 (15) C21—C16—C17—C18 −1.6 (14)
O1—Pt1—C11—C6 177.5 (4) C22—C19—C20—C21 −176.9 (8)
O1—Pt1—C11—C10 −0.4 (5) C22—C23—C24—C25 −2 (2)
O1—C41—C42—C43 1.3 (14) C23—C22—C27—C26 −1.6 (14)
O1—C41—C44—C45 −1.5 (9) C23—C24—C25—C26 −1 (2)
O2—Pt1—O1—C41 −4.3 (5) C23—C24—C25—C28 −178.9 (14)
O2—Pt1—N1—C1 −176.7 (4) C24—C25—C26—C27 2.2 (19)
O2—Pt1—N1—C5 6.1 (5) C24—C25—C28—N2 −134 (31)
O2—Pt1—C11—C6 14 (3) C25—C26—C27—C22 −0.8 (15)
O2—Pt1—C11—C10 −164 (3) C26—C25—C28—N2 48 (32)
O2—C43—C50—C51 108.5 (16) C27—C22—C23—C24 2.7 (17)
O2—C43—C50A—C51A 36 (3) C28—C25—C26—C27 180.0 (13)
O3—C2—C3—C4 177.9 (6) C29—O5—C9—C8 178.2 (7)
O3—C12—C13—C14 −177.8 (6) C29—O5—C9—C10 −3.4 (11)
O4—C16—C17—C18 −178.4 (8) C29—C30—C31—C32 169.2 (9)
O4—C16—C21—C20 177.3 (7) C30—C31—C32—C33 −171.2 (11)
O5—C9—C10—C11 179.9 (6) C31—C32—C33—C34 176.4 (11)
O5—C29—C30—C31 −65.6 (11) C32—C33—C34—C35 −176.7 (12)
N1—Pt1—O1—C41 166.6 (15) C33—C34—C35—C36 177.3 (12)
N1—Pt1—O2—C43 −174.8 (8) C34—C35—C36—C37 179.1 (12)
N1—Pt1—C11—C6 −3.5 (4) C35—C36—C37—C38 179.0 (12)
N1—Pt1—C11—C10 178.5 (5) C36—C37—C38—C39 −178.6 (12)
N1—C1—C2—O3 −176.7 (5) C37—C38—C39—C40 −178.9 (13)
N1—C1—C2—C3 2.0 (9) C41—C42—C43—O2 −1.4 (17)
N1—C1—C6—C7 −179.9 (6) C41—C42—C43—C50 −179.6 (11)
N1—C1—C6—C11 −2.3 (7) C41—C42—C43—C50A 177.7 (14)
C1—N1—C5—C4 0.0 (10) C41—C44—C45—C46 −179.1 (6)
C1—C2—C3—C4 −0.6 (10) C42—C41—C44—C45 178.9 (7)
C1—C6—C7—C8 177.0 (6) C42—C43—C50—C51 −73 (2)
C1—C6—C11—Pt1 4.1 (7) C42—C43—C50A—C51A −143 (2)
C1—C6—C11—C10 −177.8 (5) C43—C50—C51—C52 −172.3 (14)
C2—O3—C12—C13 179.3 (6) C43—C50A—C51A—C52A −174.9 (18)
C2—C1—C6—C7 −1.5 (10) C44—C41—C42—C43 −179.1 (9)
C2—C1—C6—C11 176.1 (6) C44—C45—C46—C47 −176.9 (6)
C2—C3—C4—C5 −1.0 (11) C45—C46—C47—C48 179.8 (7)
C3—C4—C5—N1 1.4 (11) C46—C47—C48—C49 179.4 (10)
C5—N1—C1—C2 −1.7 (8) C50—C43—C50A—C51A 44 (3)
C5—N1—C1—C6 176.9 (5) C50—C51—C52—C53 −65 (2)
C6—C1—C2—O3 5.0 (9) C61—C62—C63—C64 176 (2)
C6—C1—C2—C3 −176.3 (6) C61—C60—C59—C58 −141 (3)
C6—C7—C8—C9 −0.1 (10) C63—C62—C61—C60 −175 (3)
C7—C6—C11—Pt1 −178.2 (5) C59—C60—C61—C62 −171 (3)
C7—C6—C11—C10 −0.1 (9) C59—C58—C57—C56 172.0 (17)
C7—C8—C9—O5 179.7 (7) C57—C58—C59—C60 −170 (2)
C7—C8—C9—C10 1.3 (11) C57—C56—C55—C54 −176.0 (16)
C8—C9—C10—C11 −1.8 (10) C51—C52—C53—C54 −166.8 (13)
C9—O5—C29—C30 −171.8 (7) C53—C54—C55—C56 −153.2 (16)
C9—C10—C11—Pt1 179.2 (5) C55—C56—C57—C58 142.3 (19)
C9—C10—C11—C6 1.2 (9) C55—C54—C53—C52 166.8 (16)
C11—Pt1—O1—C41 176.8 (5) C50A—C43—C50—C51 −65 (4)
C11—Pt1—O2—C43 168 (3) C50A—C51A—C52A—C53A −79 (3)
C11—Pt1—N1—C1 2.1 (4) C51A—C52A—C53A—C54A −162 (2)
C11—Pt1—N1—C5 −175.1 (5) C52A—C53A—C54A—C55A −103 (3)
C11—C6—C7—C8 −0.4 (10) C53A—C54A—C55A—C56A 132 (2)
C12—O3—C2—C1 −177.1 (5) C54A—C55A—C56A—C57A 172 (2)
C12—O3—C2—C3 4.3 (9) C55A—C56A—C57A—C58A −99 (4)
C12—C13—C14—C15 169.2 (7) C56A—C57A—C58A—C59A −149 (3)
C13—C14—C15—O4 73.5 (8) C57A—C58A—C59A—C60A 161 (3)
C15—O4—C16—C17 12.0 (12) C58A—C59A—C60A—C61A 155 (4)
C15—O4—C16—C21 −164.9 (7) C59A—C60A—C61A—C62A 152 (4)
C16—O4—C15—C14 175.3 (7) C60A—C61A—C62A—C63A 176 (4)
C16—C17—C18—C19 3.3 (15) C61A—C62A—C63A—C64A 173 (3)
C17—C16—C21—C20 0.2 (12)

Footnotes

Supporting information for this paper is available from the IUCr electronic archives (Reference: VN2086).

References

  1. Brooks, J., Babayan, Y., Lamansky, S., Djurovich, P. I., Tsyba, I., Bau, R. & Thompson, M. E. (2002). Inorg. Chem. 41, 3055–3066. [DOI] [PubMed]
  2. Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Puschmann, H. (2009). J. Appl. Cryst. 42, 339–341.
  3. Jiang, S. P., Luo, K. J., Wang, Y. H., Wang, X., Jiang, Y. & Wei, Y. Y. (2011). Chin. Chem. Lett. 22, 1005–1008.
  4. Lamansky, S., Djurovich, P., Murphy, D., Abdel-Razzaq, F., Kwong, R., Tsyba, I., Bortz, M., Mui, B., Bau, R. & Thompson, M. E. (2001). Inorg. Chem. 40, 1704–1711. [DOI] [PubMed]
  5. Oxford Diffraction (2007). CrysAlis PRO. Oxford Diffraction Ltd, Abingdon, England.
  6. Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. [DOI] [PubMed]
  7. Wang, Y. F., Chen, Q., Li, Y. H., Liu, Y., Tan, H., Yu, J. T., Zhu, M. X., Wu, H. B., Zhu, W. G. & Cao, Y. (2012). J. Phys. Chem. C, 116, 5908–5914.
  8. Wang, Y. F., Liu, Y., Luo, J., Qi, H. R., Li, X. S., Nin, M. J., Liu, M., Shi, D. Y., Zhu, W. & Cao, Y. (2011). Dalton Trans. 40, 5046–5051. [DOI] [PubMed]
  9. Yang, S. H. & Hsu, C. S. (2009). J. Polym. Sci. Part A, 47, 2713–2733.

Associated Data

This section collects any data citations, data availability statements, or supplementary materials included in this article.

Supplementary Materials

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536814021928/vn2086sup1.cif

e-70-0m392-sup1.cif (75.2KB, cif)

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536814021928/vn2086Isup2.hkl

e-70-0m392-Isup2.hkl (534.6KB, hkl)

. DOI: 10.1107/S1600536814021928/vn2086fig1.tif

The mol­ecular structure of the title complex, with 50% probability displacement ellipsoids.

CCDC reference: 1027628

Additional supporting information: crystallographic information; 3D view; checkCIF report


Articles from Acta Crystallographica Section E: Structure Reports Online are provided here courtesy of International Union of Crystallography

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